3N07

structure of putative 3-deoxy-d-manno-octulosonate 8-phosphate phosphatase from vibrio cholerae

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 99
  • Norm. En. per Res.: -4.6441
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-9.6446	-38.8603	-75.8459	-124.3508	45	2	0	3026	2	13	14
A-D	-2.6289	-2.8783	-49.5874	-55.0946	45	0	1	2517	0	11	6
B-C	-86.7149	-103.4435	-244.383	-434.5414	96	8	4	9471	8	44	42
B-D	-70.116	-140.1872	-249.458	-459.7612	99	6	6	9593	10	47	42
C-D	0.0	1.272	-0.5089	0.7631	8	0	0	89	0	0	4

Interface residues

• A-B: ALA134B, ALA150B, ALA173A, ALA61A, ALA65A, ARG136B, ARG149B, ARG164A, ARG174A, ASN151B, ASN175A, ASN64A, ASP178A, GLN148B, GLN172A, GLU131B, GLU13B, GLU176A, GLY58A, GLY66A, HIS143B, HIS180A, ILE19B, LEU124B, LEU135B, LEU145B, LEU146B, LEU16B, LEU171A, LEU177A, LEU62A, LEU8A, LYS132B, LYS21A, LYS60A, PRO114B, PRO144B, PRO14B, SER15B, TRP127B, TYR152B, TYR57A, VAL129B, VAL133B, VAL179A
• A-D: ALA173D, ALA61A, ALA65A, ALA86A, ARG174A, ARG174D, ARG83A, ASN175D, ASN64A, ASN82A, ASP178D, GLN172D, GLU11D, GLU176A, GLU176D, GLU18D, GLU68A, GLY56A, GLY66A, GLY88A, ILE112A, ILE67A, ILE69A, ILE89A, LEU110A, LEU177D, LEU17D, LEU25A, LEU62A, LEU87A, LEU8D, LYS21D, LYS24A, LYS60A, LYS85A, PRO14D, SER3D, SER6D, SER90A, THR4D, THR7D, TYR57A, VAL12D, VAL179D, VAL5D
• B-C: ALA140C, ALA147C, ALA61B, ALA86B, ARG149C, ARG164B, ARG54B, ARG75B, ARG75C, ARG76B, ARG83B, ASN43C, ASN82B, ASP122C, ASP123C, ASP126C, ASP141C, ASP168B, ASP29C, ASP31C, ASP36B, ASP36C, ASP55B, CYS138C, CYS167B, GLN148C, GLN44B, GLN44C, GLN78B, GLU165B, GLU46B, GLU46C, GLU47B, GLU47C, GLU81B, GLY121C, GLY142C, GLY158B, GLY158C, GLY159B, GLY161B, GLY32C, GLY37C, GLY42C, GLY45B, GLY45C, GLY56B, GLY58B, HIS143C, HIS155B, HIS160B, HIS160C, HIS52B, ILE125C, ILE156B, ILE39B, ILE39C, ILE79B, LEU124C, LEU145C, LEU146C, LEU169B, LEU171B, LEU177B, LEU38B, LEU38C, LEU48B, LEU48C, LEU87B, LEU8B, LYS157B, LYS157C, LYS49B, LYS49C, PHE34B, PHE51B, PRO128C, PRO144C, SER35B, SER35C, SER6B, SER77B, THR50B, THR50C, THR53B, THR73C, THR7B, TRP127C, TYR40B, TYR40C, TYR57B, TYR9B, VAL139C, VAL30C, VAL33C, VAL80B
• B-D: ALA140B, ALA147B, ALA61D, ALA86D, ARG149B, ARG164D, ARG54D, ARG75B, ARG83D, ASN43B, ASN82D, ASP122B, ASP123B, ASP126B, ASP141B, ASP168D, ASP178D, ASP29B, ASP31B, ASP36B, ASP36D, ASP55D, ASP97B, CYS138B, CYS167D, GLN148B, GLN172D, GLN44B, GLN44D, GLN78D, GLU165D, GLU176D, GLU46B, GLU46D, GLU47B, GLU47D, GLY10D, GLY121B, GLY142B, GLY158B, GLY158D, GLY159D, GLY161D, GLY32B, GLY37B, GLY42B, GLY42D, GLY45B, GLY45D, GLY56D, GLY58D, GLY74B, HIS143B, HIS160B, HIS160D, HIS52D, ILE125B, ILE156D, ILE39B, ILE79D, LEU124B, LEU145B, LEU146B, LEU169D, LEU171D, LEU177D, LEU38B, LEU38D, LEU48B, LEU48D, LEU87D, LEU8D, LYS157B, LYS157D, LYS49B, LYS49D, LYS60D, LYS99B, PHE34D, PHE51D, PRO128B, PRO144B, SER35B, SER35D, SER77D, THR50D, THR53D, THR73B, THR7D, TRP127B, TYR40B, TYR40D, TYR57D, TYR9D, VAL139B, VAL179D, VAL30B, VAL33B, VAL80D
• C-D: GLU46C, GLU46D, LEU48C, LEU48D, THR50C, THR50D, TYR40C, TYR40D